Geometry & MOs

Info

ID:	70996
PubChem CID:	48414158
Reduced:	O3N5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	365.150619
ΔH_f, kcal/mol:	-0.72
Dipole, Da:	6.36
IP(EA), eV:	-9.26(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

DOS

IR

Vibrations