Geometry & MOs

Info

ID:	337784
PubChem CID:	127258407
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	291.179421
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	3.58
IP(EA), eV:	-8.19(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanedioic acid;1-[3-(dimethylamino)propyl]-1-ethylurea

Drug info:

PubChemData

Smile

CC(C(C1=CC(=C(C=C1)OC)OC)O)N2CCC(CC2)N3CNC4=CC=CC=C43

DOS

IR

Vibrations