Geometry & MOs

Info

ID:	265757
PubChem CID:	103544833
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	221.091275
ΔH_f, kcal/mol:	-38.1
Dipole, Da:	5.6
IP(EA), eV:	-8.92(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-(1-methylpyrazol-3-yl)imidazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(C=N1)C2CCCC3=CC=CC=C23)N

DOS

IR

Vibrations