Geometry & MOs

Info

ID:	343006
PubChem CID:	127266169
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	310.112899
ΔH_f, kcal/mol:	-14.18
Dipole, Da:	5.27
IP(EA), eV:	-9.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-difluoro-5-nitrophenyl)methyl]cycloheptene-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(N=N1)C)CNC(=O)CN2C(=NC3=CC=CC=C3C2=O)C

DOS

IR

Vibrations