Geometry & MOs

Info

ID:	68617
PubChem CID:	46508774
Reduced:	O3N5H25C26 (1)
Stoich.:	A3B5C25D26 (1)
Weight, g/mol:	453.216475
ΔH_f, kcal/mol:	-10.68
Dipole, Da:	4.55
IP(EA), eV:	-8.93(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(carbamoylamino)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CN1C=C(C(=O)N(C1=O)C)/C=C/C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations