Geometry & MOs

Info

ID:	432539
PubChem CID:	135172672
Reduced:	O3N8C26H30 (1)
Stoich.:	A3B8C26D30 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-12.8
Dipole, Da:	10.16
IP(EA), eV:	-8.82(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-propan-2-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC=C(C=N1)N(C)C2=CC=C(C=C2)NC(=O)C=C)NC3=NC=CC(=N3)N4[C@H](COC4=O)C(C)C

DOS

IR

Vibrations