Geometry & MOs

Info

ID:	357906
PubChem CID:	127295406
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	2.66
IP(EA), eV:	-9.12(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations