Geometry & MOs

Info

ID:	446979
PubChem CID:	135279257
Reduced:	ON3C17H35 (1)
Stoich.:	AB3C17D35 (1)
Weight, g/mol:	518.304562
ΔH_f, kcal/mol:	-55.04
Dipole, Da:	2.19
IP(EA), eV:	-8.38(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[[7-[2-(3,3-dimethylcyclopenta-1,4-dien-1-yl)ethyl]-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C/C=C(\C=C/N(CCOCCNC(C)(C)C)N)/C(C)(C)C

DOS

IR

Vibrations