Geometry & MOs

Info

ID:	439073
PubChem CID:	135228836
Reduced:	N2O6C27H30 (1)
Stoich.:	A2B6C27D30 (1)
Weight, g/mol:	472.272593
ΔH_f, kcal/mol:	-195.47
Dipole, Da:	13.12
IP(EA), eV:	-9.34(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-9-[6-(2-methoxyethoxy)pyridin-3-yl]-2-methylidene-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizine

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN=C(C=C4)OCCOC

DOS

IR

Vibrations