Geometry & MOs

Info

ID:	439100
PubChem CID:	135228863
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-140.03
Dipole, Da:	13.44
IP(EA), eV:	-8.88(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[10-methoxy-2-methylidene-6-propan-2-yl-9-(1H-pyrazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations