Geometry & MOs

Info

ID:	24537
PubChem CID:	610776
Reduced:	N4O5H8C9 (1)
Stoich.:	A4B5C8D9 (1)
Weight, g/mol:	252.049469
ΔH_f, kcal/mol:	5.07
Dipole, Da:	6.89
IP(EA), eV:	-10.18(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dinitroanilino)-1-isocyanoethanol

Drug info:

PubChemData

Smile

CC(NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])([N+]#[C-])O

DOS

IR

Vibrations