Geometry & MOs

Info

ID:	293122
PubChem CID:	117374267
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-74.53
Dipole, Da:	3.59
IP(EA), eV:	-8.04(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(E)-3-aminoprop-1-enyl]phenyl]carbamate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)C(CCC(=O)O)N

DOS

IR

Vibrations