Geometry & MOs

Info

ID:	45413
PubChem CID:	10512918
Reduced:	NC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	216.162649
ΔH_f, kcal/mol:	21.31
Dipole, Da:	3.05
IP(EA), eV:	-8.12(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S,2S)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1H-imidazole

Drug info:

PubChemData

Smile

CC(C)C(CN)C1=CN(C2=CC=CC=C21)C

DOS

IR

Vibrations