Geometry & MOs

Info

ID:	354583
PubChem CID:	127287197
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-128.5
Dipole, Da:	5.3
IP(EA), eV:	-8.66(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)OCCNC(=O)N2CCC(CC2)N3CCCCC3

DOS

IR

Vibrations