Geometry & MOs

Info

ID:	346230
PubChem CID:	127270721
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	-28.81
Dipole, Da:	3.96
IP(EA), eV:	-8.69(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)N3CCCN(CC3)C(=O)N

DOS

IR

Vibrations