Geometry & MOs

Info

ID:	167182
PubChem CID:	74792573
Reduced:	ClO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-2.74
Dipole, Da:	2.69
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-2-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)NC4CCCCNC4=O

DOS

IR

Vibrations