Geometry & MOs

Info

ID:	403323
PubChem CID:	135059739
Reduced:	N2O3H12C14 (2)
Stoich.:	A2B3C12D14 (2)
Weight, g/mol:	298.146999
ΔH_f, kcal/mol:	-36.85
Dipole, Da:	6.87
IP(EA), eV:	-7.92(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-9-methyl-3-phenylpyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CC(C)CCOC(=O)C1=CC2=C(/C(=C/3\C=CC4=C(N3)C(=O)C(=CC4=O)NC(=O)C)/N1)N=C5C2=CC(=O)C=C5

DOS

IR

Vibrations