Geometry & MOs

Info

ID:	244731
PubChem CID:	99381216
Reduced:	Cl2O2N5H21C22 (1)
Stoich.:	A2B2C5D21E22 (1)
Weight, g/mol:	457.176834
ΔH_f, kcal/mol:	-12.72
Dipole, Da:	9.6
IP(EA), eV:	-8.99(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)Cl)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations