Geometry & MOs

Info

ID:	448376
PubChem CID:	135290477
Reduced:	N2O2H11C12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	430.164105
ΔH_f, kcal/mol:	2.65
Dipole, Da:	4.12
IP(EA), eV:	-8.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)C2=CC=CC=C2NC(=O)/C=C/C3=CC(=C(C=C3)OCC#C)OC

DOS

IR

Vibrations