Geometry & MOs

Info

ID:	71052
PubChem CID:	48414224
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-8.55
Dipole, Da:	6.86
IP(EA), eV:	-8.98(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations