Geometry & MOs

Info

ID:	202815
PubChem CID:	79730956
Reduced:	BrOF2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	214.168128
ΔH_f, kcal/mol:	-102.41
Dipole, Da:	2.84
IP(EA), eV:	-9.24(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-(pyrrolidin-3-ylamino)pentanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(C2=C(C=C(C(=C2)C)F)F)Br

DOS

IR

Vibrations