Geometry & MOs

Info

ID:	348459
PubChem CID:	127273560
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-37.9
Dipole, Da:	2.87
IP(EA), eV:	-8.74(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]butan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C(=O)N3CCNC(=O)C3C4=CC=CC=C4

DOS

IR

Vibrations