Geometry & MOs

Info

ID:	70265
PubChem CID:	48409824
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-119.47
Dipole, Da:	6.22
IP(EA), eV:	-9.22(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2CCCN(C2)C(=O)C3=CC=CO3

DOS

IR

Vibrations