Geometry & MOs

Info

ID:	276494
PubChem CID:	103823828
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	2.7
IP(EA), eV:	-8.27(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[(5-methylpyridin-2-yl)methylamino]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CCCC1NC2=CN=C(C=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations