Geometry & MOs

Info

ID:	150310
PubChem CID:	53789998
Reduced:	NC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	365.164046
ΔH_f, kcal/mol:	20.1
Dipole, Da:	6.02
IP(EA), eV:	-9.94(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(1-phenylethyl)-2-pyridin-2-ylpyrimido[4,5-b]indol-4-amine

Drug info:

PubChemData

Smile

CCC(CC#N)CC(=CC(CC)C#N)CC

DOS

IR

Vibrations