Geometry & MOs

Info

ID:	209528
PubChem CID:	80683577
Reduced:	O3C11H20 (1)
Stoich.:	A3B11C20 (1)
Weight, g/mol:	297.103731
ΔH_f, kcal/mol:	-160.07
Dipole, Da:	4.92
IP(EA), eV:	-9.41(1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-(1-methyl-1,2,4-triazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1(CCCCO1)C(C2CCOC2)O

DOS

IR

Vibrations