Geometry & MOs

Info

ID:	163106
PubChem CID:	57641423
Reduced:	N2O4H64C83 (1)
Stoich.:	A2B4C64D83 (1)
Weight, g/mol:	126.104465
ΔH_f, kcal/mol:	116.05
Dipole, Da:	10.79
IP(EA), eV:	-8.07(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran

Drug info:

Smile

CC1=C(C(=O)OC2=C1C3=C(C=C2)C=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=C(C7=CC=CC=C76)C8=C9C(=C(C=C8)N(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC2=C(C=CC3=C2C=CC(=C3)C(C)(C)C)OC1=O)C=CC1=CC=CC=C19

DOS

IR

Vibrations