Geometry & MOs

Info

ID:	206812
PubChem CID:	80304873
Reduced:	BrFSN3H13C15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	149.097127
ΔH_f, kcal/mol:	20.65
Dipole, Da:	1.97
IP(EA), eV:	-8.67(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-ethyl-N-methylbutan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)N2C3=C(C=C(C=N3)Br)NC2=S)F

DOS

IR

Vibrations