Geometry & MOs

Info

ID:	177941
PubChem CID:	76254756
Reduced:	O3N8C16H30 (1)
Stoich.:	A3B8C16D30 (1)
Weight, g/mol:	383.163377
ΔH_f, kcal/mol:	-69.6
Dipole, Da:	8.71
IP(EA), eV:	-9.58(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(furan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CCOC)CC2=NN=NN2CCC)N

DOS

IR

Vibrations