Geometry & MOs

Info

ID:	151657
PubChem CID:	56261008
Reduced:	N5O5C16H21 (1)
Stoich.:	A5B5C16D21 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	2.83
IP(EA), eV:	-10.16(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)C(C)(C)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations