Geometry & MOs

Info

ID:	222534
PubChem CID:	85305468
Reduced:	NOH21C26 (1)
Stoich.:	ABC21D26 (1)
Weight, g/mol:	364.215078
ΔH_f, kcal/mol:	59.96
Dipole, Da:	3.81
IP(EA), eV:	-8.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-2-[(5-hexoxy-2-methoxyphenyl)methyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1(C(N(C1=O)C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations