Geometry & MOs

Info

ID:	281049
PubChem CID:	103852597
Reduced:	ClO2N3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	325.155705
ΔH_f, kcal/mol:	-101.2
Dipole, Da:	5.55
IP(EA), eV:	-9.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[2-[(6-chloropyridin-3-yl)amino]cyclopentyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC1CC(C2)NC3=CC(=NC=C3)Cl

DOS

IR

Vibrations