Geometry & MOs

Info

ID:	345802
PubChem CID:	127270102
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	0.78
Dipole, Da:	6.83
IP(EA), eV:	-9.04(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1H-imidazol-2-yl)phenyl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2CCCN(C2)C(=O)C3=CN4C(=NN=C4C=C3)C

DOS

IR

Vibrations