Geometry & MOs

Info

ID:	437600
PubChem CID:	135226647
Reduced:	NO2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	188.163711
ΔH_f, kcal/mol:	-55.47
Dipole, Da:	4.28
IP(EA), eV:	-9.42(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(methylamino)-1,3-di(propan-2-yl)urea

Drug info:

PubChemData

Smile

C1C(=O)N(C(O1)C2=CC=CC=C2)[C@H]3[C@H](N(C3=O)CC=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations