Geometry & MOs

Info

ID:	162106
PubChem CID:	57393637
Reduced:	IO2N6H15C21 (1)
Stoich.:	AB2C6D15E21 (1)
Weight, g/mol:	167.069477
ΔH_f, kcal/mol:	85.9
Dipole, Da:	4.43
IP(EA), eV:	-8.96(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(4-aminopyridin-3-yl)carbamate

Drug info:

PubChemData

Smile

COC1=CN=C2C(=C1)C=C(N2)C(=O)C3=CC4=C(N3)N=CN=C4NC5=CC(=CC=C5)I

DOS

IR

Vibrations