Geometry & MOs

Info

ID:	346166
PubChem CID:	127270654
Reduced:	OCl2N5C17H25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-6.47
Dipole, Da:	1.9
IP(EA), eV:	-8.78(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanophenyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)N1CCN(CC1)C2=C(C=C(C=N2)Cl)Cl)C3CC3

DOS

IR

Vibrations