Geometry & MOs

Info

ID:	331233
PubChem CID:	127248640
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	449.188546
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	10.99
IP(EA), eV:	-9.1(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-2-[1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(N=CC=C1)C2CCN(C2)C(=O)C3=CC=CC=C3CN4C=CC=N4

DOS

IR

Vibrations