Geometry & MOs

Info

ID:	271573
PubChem CID:	103684230
Reduced:	NC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	305.035577
ΔH_f, kcal/mol:	10.72
Dipole, Da:	2.13
IP(EA), eV:	-8.51(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethylsulfonyl)-N-(2-prop-2-ynylsulfanylethyl)aniline

Drug info:

PubChemData

Smile

CC1CC(CC(C1)NC2=NC=CN=C2N)C

DOS

IR

Vibrations