Geometry & MOs

Info

ID:	308625
PubChem CID:	126497178
Reduced:	N6O7C47H50 (1)
Stoich.:	A6B7C47D50 (1)
Weight, g/mol:	151.1361
ΔH_f, kcal/mol:	-111.22
Dipole, Da:	9.29
IP(EA), eV:	-8.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-methyl-2,3,4,6,9,9a-hexahydro-1H-quinolizine

Drug info:

PubChemData

Smile

CC(C(=O)NC/C=C(/COC1=C(C=C(C(=C1)NC)C(=O)N2CCC3=CC=CC=C32)OC)\C=C(\COC4=C(C=C5C(=C4)N=CC6CC7=CC=CC=C7N6C5=O)OC)/C=C)NC

DOS

IR

Vibrations