Geometry & MOs

Info

ID:	244301
PubChem CID:	99319749
Reduced:	FON4H21C23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	414.205576
ΔH_f, kcal/mol:	5.1
Dipole, Da:	3.48
IP(EA), eV:	-9.27(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[(E)-3-[[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=N1)F)C(=O)N[C@@H](C)C3=C(N(N=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations