Geometry & MOs

Info

ID:	184910
PubChem CID:	77228164
Reduced:	O3N7H21C23 (1)
Stoich.:	A3B7C21D23 (1)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	-2.23
Dipole, Da:	11.11
IP(EA), eV:	-9.05(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[1-[[6-(3-cyanophenyl)pyridin-2-yl]amino]-2-methylpropan-2-yl]amino]acetyl]pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CN=C(N=C2)OC)NC3=NC=NC4=C3C=CC=C4C(=O)N

DOS

IR

Vibrations