Geometry & MOs

Info

ID:	448375
PubChem CID:	135290469
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	430.164105
ΔH_f, kcal/mol:	-34.3
Dipole, Da:	4.1
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]-N-(1-methylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=C(C=CC(=C1)OC)/C=C/C(=O)NC2=CC=CC=C2C#N

DOS

IR

Vibrations