Geometry & MOs

Info

ID:	336989
PubChem CID:	127256554
Reduced:	PN3C18H36 (1)
Stoich.:	AB3C18D36 (1)
Weight, g/mol:	410.362077
ΔH_f, kcal/mol:	-14.81
Dipole, Da:	1.12
IP(EA), eV:	-8.74(1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(3S)-4-[(2R)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-methylpiperazin-1-yl]-3-[(3S)-3-methylpiperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)CC1CN1P(N2CC2CC(C)C)N3CC3CC(C)C

DOS

IR

Vibrations