Geometry & MOs

Info

ID:	130795
PubChem CID:	51107837
Reduced:	O4N5C16H17 (1)
Stoich.:	A4B5C16D17 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-26.5
Dipole, Da:	3.41
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-methoxy-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCC(=O)NC2=CC3=C(C=C2)OC(=N3)C)C)[N+](=O)[O-]

DOS

IR

Vibrations