Geometry & MOs

Info

ID:	264848
PubChem CID:	103497599
Reduced:	N2C15H30 (1)
Stoich.:	A2B15C30 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-42.76
Dipole, Da:	3.44
IP(EA), eV:	-8.52(2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl-[(3-methylphenyl)methyl]amino]-2,3-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC1(CCNC1)CN2CCC(CC2)C(C)C

DOS

IR

Vibrations