Geometry & MOs

Info

ID:

174601

PubChem CID:

75791797

Reduced:

NO3C11H18 (1)

Stoich.:

AB3C11D18 (1)

Weight, g/mol:

211.120843

ΔHf, kcal/mol:

-87.67

Dipole, Da:

2.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765512

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[furan-2-ylmethyl(methyl)amino]butanoate

Drug info:

PubChemData

Smile

CCC(C(=O)OC)[NH+](C)CC1=CC=CO1

DOS

IR

Vibrations