Geometry & MOs

Info

ID:	439437
PubChem CID:	135229211
Reduced:	N4O5C33H56 (1)
Stoich.:	A4B5C33D56 (1)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	-278.18
Dipole, Da:	6.21
IP(EA), eV:	-8.94(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyclopropyl-1,5-dimethylimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCN(CC[C@H](C)C(=O)NCCC1=CC=CC=C1)C(=O)C[C@@H](C([C@H](C)CC)N(C)C(=O)CNC(=O)CC(C)C)OC

DOS

IR

Vibrations