Geometry & MOs

Info

ID:	403436
PubChem CID:	135060314
Reduced:	N4O6H12C21 (1)
Stoich.:	A4B6C12D21 (1)
Weight, g/mol:	440.129156
ΔH_f, kcal/mol:	-57.96
Dipole, Da:	10.72
IP(EA), eV:	-8.87(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-chlorophenyl)-8-methyl-4-phenylpyrimido[1,2-a]indole-10-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C(=O)C3=C4C(=CC(=N3)C(=O)O)C5=C(N4)C=CC(=C5)O

DOS

IR

Vibrations