Geometry & MOs

Info

ID:	438899
PubChem CID:	135228659
Reduced:	N3C34H47 (1)
Stoich.:	A3B34C47 (1)
Weight, g/mol:	249.066714
ΔH_f, kcal/mol:	52.89
Dipole, Da:	4.8
IP(EA), eV:	-7.95(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-aminoimidazol-4-yl)-3-phosphanylbenzoate

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N/C(=C\C(=C)/C(=C\C)/C(=C)C)/C2=C1)C(C)(C)C)/C(=C/C=C(\N)/N3CCCC3)/C=C

DOS

IR

Vibrations