Geometry & MOs

Info

ID:	69704
PubChem CID:	47205211
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-124.59
Dipole, Da:	3.16
IP(EA), eV:	-9.96(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-(1H-pyrazol-5-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC(=O)NCC1=CC=NN1

DOS

IR

Vibrations