Geometry & MOs

Info

ID:	214327
PubChem CID:	84975121
Reduced:	O2N3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	328.158706
ΔH_f, kcal/mol:	-65.84
Dipole, Da:	2.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754613
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)C[NH+]3CCCC(C3)C(=O)N

DOS

IR

Vibrations