Geometry & MOs

Info

ID:	394587
PubChem CID:	135023261
Reduced:	N2O6C27H44 (1)
Stoich.:	A2B6C27D44 (1)
Weight, g/mol:	386.243024
ΔH_f, kcal/mol:	-283.82
Dipole, Da:	8.69
IP(EA), eV:	-9.67(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-amino-5-methylanilino)-3-(1-cyclohexyltetrazol-5-yl)butanoate

Drug info:

PubChemData

Smile

CCCCCC[C@H]1[C@@H](OC1=O)C[C@H](C/C=C\C/C=C\CCCCC)OC(=O)[C@H](CC(=O)N)NC=O

DOS

IR

Vibrations