Geometry & MOs

Info

ID:	148109
PubChem CID:	53787771
Reduced:	ClNO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	387.160121
ΔH_f, kcal/mol:	-92.37
Dipole, Da:	4.59
IP(EA), eV:	-8.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCN(CCOC(=O)C1=CC=C(C=C1)Cl)C2=CC(=CC=C2)OC

DOS

IR

Vibrations