Geometry & MOs

Info

ID:	198857
PubChem CID:	79162910
Reduced:	BrFON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	172.132411
ΔH_f, kcal/mol:	-38.04
Dipole, Da:	1.85
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-3-iminopropyl)-1-ethyl-1-methylurea

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)O)CNC2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations