Geometry & MOs

Info

ID:	180163
PubChem CID:	76587636
Reduced:	N3O3C28H35 (1)
Stoich.:	A3B3C28D35 (1)
Weight, g/mol:	216.172545
ΔH_f, kcal/mol:	0.93
Dipole, Da:	1.21
IP(EA), eV:	-8.5(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(hydroxymethyl)-2,6-dimethyl-4-propan-2-yloxan-2-yl]methanol

Drug info:

PubChemData

Smile

CC1C2C=CC(O2)C(C1(C3=CC(=C(C=C3)NC(=O)C4=NC=C(N4)C)C5=CCC(CC5)(C)C)O)C

DOS

IR

Vibrations