Geometry & MOs

Info

ID:	252498
PubChem CID:	103111789
Reduced:	N5O5C11H17 (1)
Stoich.:	A5B5C11D17 (1)
Weight, g/mol:	234.111676
ΔH_f, kcal/mol:	-161.1
Dipole, Da:	4.51
IP(EA), eV:	-9.92(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(=O)NC(=O)NC)C(=O)OCCOC

DOS

IR

Vibrations