Geometry & MOs

Info

ID:	219156
PubChem CID:	85091100
Reduced:	BrNPO7C29H53 (1)
Stoich.:	ABCD7E29F53 (1)
Weight, g/mol:	639.451226
ΔH_f, kcal/mol:	-430.16
Dipole, Da:	5.28
IP(EA), eV:	-10.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[7-[[1-[(2-methoxypyridin-3-yl)methyl]piperidin-4-yl]-propan-2-ylamino]heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNC(=O)OCC1C2C=CC(C1COP(=O)(O)OCCBr)O2

DOS

IR

Vibrations