Geometry & MOs

Info

ID:	70233
PubChem CID:	48409654
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-71.9
Dipole, Da:	0.77
IP(EA), eV:	-8.65(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)CCOC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations