Geometry & MOs

Info

ID:	387395
PubChem CID:	134985223
Reduced:	N5C10O12H15 (1)
Stoich.:	A5B10C12D15 (1)
Weight, g/mol:	254.101505
ΔH_f, kcal/mol:	-170.51
Dipole, Da:	4.14
IP(EA), eV:	-11.19(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-(2-nitramidoethyl)urea

Drug info:

PubChemData

Smile

CCOC(=O)CC(C(=O)OCC)N(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations