Geometry & MOs

Info

ID:	353197
PubChem CID:	127284377
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	6.52
IP(EA), eV:	-8.45(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[cyclopropyl(ethyl)amino]methyl]benzoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)N)C(=O)C2=CC=C(C=C2)CN3CCSCC3

DOS

IR

Vibrations