Geometry & MOs

Info

ID:	44398
PubChem CID:	10503369
Reduced:	O3N4C25H38 (1)
Stoich.:	A3B4C25D38 (1)
Weight, g/mol:	442.319543
ΔH_f, kcal/mol:	-142.73
Dipole, Da:	2.47
IP(EA), eV:	-9.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,5R)-5-benzyl-2-tert-butyl-5-(cyclohexylmethyl)-4-methoxy-2H-imidazole-1-carboxylate

Drug info:

PubChemData

Smile

CCCCC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)N)CC(=O)OC(C)(C)C

DOS

IR

Vibrations