Geometry & MOs

Info

ID:	311138
PubChem CID:	126589583
Reduced:	FN2O4C25H29 (1)
Stoich.:	AB2C4D25E29 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-127.48
Dipole, Da:	4.63
IP(EA), eV:	-9.14(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylcyclohexa-1,5-dien-1-yl)methyl 2-(propylamino)acetate

Drug info:

PubChemData

Smile

CC[C@](C1=CC(=O)N2CC3C(CCCC4=C(C(=CC5[C@@H]4C5N=C3C2=C1)F)C)C)(C(=O)O)O

DOS

IR

Vibrations