Geometry & MOs

Info

ID:	358537
PubChem CID:	127296133
Reduced:	O2N4C19H34 (1)
Stoich.:	A2B4C19D34 (1)
Weight, g/mol:	384.26376
ΔH_f, kcal/mol:	-127.99
Dipole, Da:	2.85
IP(EA), eV:	-8.8(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCC(CC1)NC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations