Geometry & MOs

Info

ID:	391032
PubChem CID:	135002338
Reduced:	ON2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	315.138992
ΔH_f, kcal/mol:	0.56
Dipole, Da:	5.31
IP(EA), eV:	-8.5(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-1-(4-chlorophenyl)-3-methylpent-4-enyl]-4-methoxyaniline

Drug info:

PubChemData

Smile

CCCCN1CC(N(C1=O)C2=CC=CC=C2)C(=C)C3=CC=C(C=C3)C

DOS

IR

Vibrations