Geometry & MOs

Info

ID:	70913
PubChem CID:	48414039
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-72.09
Dipole, Da:	1.39
IP(EA), eV:	-9.66(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylmethoxybenzamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations