Geometry & MOs

Info

ID:	350935
PubChem CID:	127279223
Reduced:	N2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	366.136176
ΔH_f, kcal/mol:	11.53
Dipole, Da:	6.7
IP(EA), eV:	-8.96(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(cyclopropylcarbamoyl)phenyl]sulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN1CC2=NN=C3N2CCCCC3)C

DOS

IR

Vibrations