Geometry & MOs

Info

ID:	447235
PubChem CID:	135281365
Reduced:	ClN3C18H30 (1)
Stoich.:	AB3C18D30 (1)
Weight, g/mol:	220.084792
ΔH_f, kcal/mol:	-35.59
Dipole, Da:	4.93
IP(EA), eV:	-8.92(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[4-(prop-2-enoylamino)phenyl]acetic acid

Drug info:

PubChemData

Smile

C1CC(CCC1CN2CCN(CC2)CC3=CC=CC=C3)N.Cl

DOS

IR

Vibrations