Geometry & MOs

Info

ID:	208773
PubChem CID:	80582755
Reduced:	ON3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	3.04
IP(EA), eV:	-8.43(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-amino-3-nitrophenyl)methyl]-3-propan-2-ylimidazol-2-one

Drug info:

PubChemData

Smile

CC(C)N1C=CN(C1=O)CCNC2CCCC2

DOS

IR

Vibrations