Geometry & MOs

Info

ID:	149663
PubChem CID:	53789337
Reduced:	OC12H24 (1)
Stoich.:	AB12C24 (1)
Weight, g/mol:	704.368619
ΔH_f, kcal/mol:	-86.35
Dipole, Da:	2.28
IP(EA), eV:	-9.6(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methoxyphenyl)-3-[2-[4-[[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCCCC(CCC=CCCC)O

DOS

IR

Vibrations