Geometry & MOs

Info

ID:	190534
PubChem CID:	78016653
Reduced:	NOC12H17 (2)
Stoich.:	ABC12D17 (2)
Weight, g/mol:	381.278013
ΔH_f, kcal/mol:	-75.86
Dipole, Da:	1.71
IP(EA), eV:	-8.8(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-ethyl-2-methyl-6-[2-(methylamino)-6-propan-2-ylpyridin-3-yl]pyridin-3-yl]-3-methylhex-4-en-1-ol

Drug info:

PubChemData

Smile

CCC1=CC(=C(N=C1C2=C(N=C(C=C2)C(C)C)OC)C)C(=CC)C(CC)CO

DOS

IR

Vibrations