Geometry & MOs

Info

ID:	265756
PubChem CID:	103544631
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-94.63
Dipole, Da:	5.58
IP(EA), eV:	-8.78(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=C(N1C2=CC3=C(C=C2)OCO3)N)C(=O)OC

DOS

IR

Vibrations