Geometry & MOs

Info

ID:	438739
PubChem CID:	135228492
Reduced:	N3O3C30H41 (1)
Stoich.:	A3B3C30D41 (1)
Weight, g/mol:	373.251798
ΔH_f, kcal/mol:	-103.27
Dipole, Da:	8.88
IP(EA), eV:	-8.21(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(10-ethyl-2-methylidene-6-propan-2-yl-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-9-yl)-3-iminoprop-1-en-1-amine

Drug info:

PubChemData

Smile

CCCC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)/C(=C/N)/C=NCC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations