Geometry & MOs

Info

ID:	353193
PubChem CID:	127284373
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-120.24
Dipole, Da:	4.7
IP(EA), eV:	-8.75(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)N)C(=O)CN2C(=O)CN3C4=CC=CC=C4C=C3C2=O

DOS

IR

Vibrations