Geometry & MOs

Info

ID:	438918
PubChem CID:	135228679
Reduced:	N2O3C33H44 (1)
Stoich.:	A2B3C33D44 (1)
Weight, g/mol:	411.267448
ΔH_f, kcal/mol:	-114.86
Dipole, Da:	11.01
IP(EA), eV:	-7.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-ethyl-2-methylidene-9-(2-methylpyrimidin-5-yl)-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizine

Drug info:

PubChemData

Smile

CCCCNC(=O)/C=C\C(=C/C)\C1=C(C=C2C(=C1)CC(N3C2=CC(=C)C(=C3)C(=O)OCC)C(C)(C)C)CC

DOS

IR

Vibrations