Geometry & MOs

Info

ID:	29396
PubChem CID:	833519
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-18.93
Dipole, Da:	2.4
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-methylpyrazole-1-carbonyl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C(=O)COC2=CC=CC=C2C

DOS

IR

Vibrations