Geometry & MOs

Info

ID:	186967
PubChem CID:	77508758
Reduced:	O2C27H42 (1)
Stoich.:	A2B27C42 (1)
Weight, g/mol:	482.217872
ΔH_f, kcal/mol:	-120.78
Dipole, Da:	4.37
IP(EA), eV:	-9.22(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1C2C(CC3C2(CCC4C3CCC5C4(CCCC5)C)C)OC16CCC(=C)CO6

DOS

IR

Vibrations