Geometry & MOs

Info

ID:	285328
PubChem CID:	104099051
Reduced:	N4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	298.124132
ΔH_f, kcal/mol:	66.75
Dipole, Da:	5.1
IP(EA), eV:	-9.05(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNCCN2C=CN=N2)C

DOS

IR

Vibrations