Geometry & MOs

Info

ID:	168488
PubChem CID:	74974995
Reduced:	N4O4C23H30 (1)
Stoich.:	A4B4C23D30 (1)
Weight, g/mol:	461.257946
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	2.52
IP(EA), eV:	-9.27(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-(4-phenylpiperidin-1-yl)but-1-enyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NOC2=NC=NC(=C2C)OC3CCN(CC3)C(=O)OC(C)C)C

DOS

IR

Vibrations