Geometry & MOs

Info

ID:	250033
PubChem CID:	103093710
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	303.120148
ΔH_f, kcal/mol:	-89.31
Dipole, Da:	2.87
IP(EA), eV:	-8.4(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC2=C(C(=C1)OC)OCO2)/C

DOS

IR

Vibrations