Geometry & MOs

Info

ID:	306203
PubChem CID:	125002611
Reduced:	ON4C25H30 (1)
Stoich.:	AB4C25D30 (1)
Weight, g/mol:	344.159689
ΔH_f, kcal/mol:	47.04
Dipole, Da:	2.64
IP(EA), eV:	-8.6(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-1-acetyl-4-(2H-benzotriazole-5-carbonyl)-N-methyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN(C)CC1=NC(=CC=C1)[C@@H]2CCCN2CC3=CC(=CC=C3)OCC4=CC=CC=N4

DOS

IR

Vibrations