Geometry & MOs

Info

ID:	188360
PubChem CID:	77704561
Reduced:	ON4C29H40 (1)
Stoich.:	AB4C29D40 (1)
Weight, g/mol:	617.276883
ΔH_f, kcal/mol:	-22.98
Dipole, Da:	5.26
IP(EA), eV:	-8.4(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-[1-[5-[(dimethylamino)methyl]-2-methoxyanilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-hydroxypiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(N1CCCCCCN2C3=CC=CC=C3CC(C2=O)C4=CC(=CC=C4)C(=N)N)C

DOS

IR

Vibrations