Geometry & MOs

Info

ID:	186504
PubChem CID:	77439148
Reduced:	ON3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	554.277217
ΔH_f, kcal/mol:	44.84
Dipole, Da:	7.73
IP(EA), eV:	-8.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-N-[5-[(1-methylcyclopropanecarbonyl)amino]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1C(=C(NC(=C1C#N)C2=CC=C(C=C2)O)C)C#N

DOS

IR

Vibrations