Geometry & MOs

Info

ID:	257399
PubChem CID:	103145833
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-105.03
Dipole, Da:	5.02
IP(EA), eV:	-9.1(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(pyrimidin-5-ylmethylamino)cycloheptyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCCCCC1NCC2=CN=CN2

DOS

IR

Vibrations