Geometry & MOs

Info

ID:	69229
PubChem CID:	46530483
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	437.185175
ΔH_f, kcal/mol:	-92.34
Dipole, Da:	6.52
IP(EA), eV:	-8.28(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[4-(carbamoylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)NC(=O)N

DOS

IR

Vibrations