Geometry & MOs

Info

ID:	146652
PubChem CID:	53724697
Reduced:	O5N6C24H44 (1)
Stoich.:	A5B6C24D44 (1)
Weight, g/mol:	206.105528
ΔH_f, kcal/mol:	-251.66
Dipole, Da:	6.49
IP(EA), eV:	-9.52(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)methyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NCC(C(CC(C)C)NC(=O)[C@H](CC1=CN=CN1)N)O

DOS

IR

Vibrations