Geometry & MOs

Info

ID:	155343
PubChem CID:	56352932
Reduced:	ClO3N5C20H26 (1)
Stoich.:	AB3C5D20E26 (1)
Weight, g/mol:	437.161853
ΔH_f, kcal/mol:	-71.74
Dipole, Da:	5.01
IP(EA), eV:	-9.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-(5-methyl-1-phenylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CCCC(=O)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations