Geometry & MOs

Info

ID:	206686
PubChem CID:	80283424
Reduced:	ClN4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	212.106196
ΔH_f, kcal/mol:	85.24
Dipole, Da:	5.81
IP(EA), eV:	-9.3(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(methylaminomethyl)phenyl]imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

CCNCC1=C(C=CC=C1Cl)N2C=CN=C2C#N

DOS

IR

Vibrations