Geometry & MOs

Info

ID:	165092
PubChem CID:	74499431
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	429.170686
ΔH_f, kcal/mol:	30.0
Dipole, Da:	3.33
IP(EA), eV:	-8.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(C2CC2)C(=O)C=CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations