Geometry & MOs

Info

ID:	262012
PubChem CID:	103266187
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-103.59
Dipole, Da:	7.63
IP(EA), eV:	-9.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(but-3-enylamino)methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1CC(C1)NCCOC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations