Geometry & MOs

Info

ID:	128582
PubChem CID:	51051284
Reduced:	NO6C31H33 (1)
Stoich.:	AB6C31D33 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-187.22
Dipole, Da:	5.15
IP(EA), eV:	-8.25(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[5-(cyanomethyl)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)pyridin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=CC(=C(C3=C2C1CCC4=CC5=C(C=C43)OCO5)OCC6=CC=CC=C6)OC

DOS

IR

Vibrations