Geometry & MOs

Info

ID:	245116
PubChem CID:	99437548
Reduced:	O4N5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	-83.9
Dipole, Da:	7.05
IP(EA), eV:	-9.05(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC1=CC(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)N3C=CC(=N3)C(=O)N

DOS

IR

Vibrations