Geometry & MOs

Info

ID:	433105
PubChem CID:	135173242
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	211.084458
ΔH_f, kcal/mol:	-180.11
Dipole, Da:	4.5
IP(EA), eV:	-8.52(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-cyclohexa-1,5-dien-1-yl-2-(methoxycarbonylamino)acetic acid

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C[C@H]2C(=O)NCCCC(=O)N[C@H](C(=O)N2)C

DOS

IR

Vibrations