Geometry & MOs

Info

ID:	296362
PubChem CID:	117570171
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-49.26
Dipole, Da:	2.17
IP(EA), eV:	-8.14(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-oxobutylamino)benzoate

Drug info:

PubChemData

Smile

CC(=O)CCNC1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations