Geometry & MOs

Info

ID:	187270
PubChem CID:	77553068
Reduced:	O2N3H9C10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	5.35
Dipole, Da:	2.47
IP(EA), eV:	-9.37(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-4-(4-methoxyphenyl)butan-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

C1C(C(=O)N(C2=C1C=C(C=C2)C#N)O)N

DOS

IR

Vibrations