Geometry & MOs

Info

ID:	69717
PubChem CID:	47205237
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	5.83
IP(EA), eV:	-9.14(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations