Geometry & MOs

Info

ID:	322920
PubChem CID:	126671579
Reduced:	ClNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	589.30712
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	3.59
IP(EA), eV:	-9.13(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[6-[[2-amino-5-(aminomethyl)phenyl]methyl]-8-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromen-3-yl]propan-2-yl]-1-(2-chlorophenyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1CCCN(C1=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations