Geometry & MOs

Info

ID:	250039
PubChem CID:	103093749
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	347.06963
ΔH_f, kcal/mol:	10.95
Dipole, Da:	2.83
IP(EA), eV:	-8.9(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[5-bromo-2-(difluoromethoxy)phenyl]-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC=CC=C1OCC#N)/C

DOS

IR

Vibrations