Geometry & MOs

Info

ID:	230951
PubChem CID:	87572313
Reduced:	ClO2N4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	412.166604
ΔH_f, kcal/mol:	-15.65
Dipole, Da:	12.87
IP(EA), eV:	-8.55(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[1-[[[6-chloro-5-(4-cyanophenyl)pyridin-3-yl]amino]methyl]cyclopropyl]methyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C1(CC1)CNC2=CC(=C(N=C2)Cl)C3=CC=C(C=C3)C#N)NC(=O)O

DOS

IR

Vibrations