Geometry & MOs

Info

ID:	243996
PubChem CID:	99309144
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	422.233621
ΔH_f, kcal/mol:	-123.62
Dipole, Da:	1.16
IP(EA), eV:	-8.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)CN4C(=O)CNC4=O

DOS

IR

Vibrations