Geometry & MOs

Info

ID:	434470
PubChem CID:	135175013
Reduced:	O3N5C27H30 (2)
Stoich.:	A3B5C27D30 (2)
Weight, g/mol:	209.12766
ΔH_f, kcal/mol:	-67.51
Dipole, Da:	5.6
IP(EA), eV:	-8.76(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-(1-aminoethenyl)-1-propan-2-ylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NC4CCC5=C(C4)C=CC(=C5)CC6=CC(=NN=C6N7CCC(CC7)OC8=CN=C(C=C8)OC)C(=O)NC9CCC1=CC=CC=C1C9

DOS

IR

Vibrations