Geometry & MOs

Info

ID:	231262
PubChem CID:	87573260
Reduced:	ClN2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	402.182254
ΔH_f, kcal/mol:	-124.73
Dipole, Da:	6.5
IP(EA), eV:	-8.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(C1(CC1)COC2=CC(=C(N=C2)Cl)C3=CC=C(C=C3)O)NC(=O)O

DOS

IR

Vibrations