Geometry & MOs

Info

ID:	207458
PubChem CID:	80398323
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-128.85
Dipole, Da:	7.55
IP(EA), eV:	-9.14(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[3-(methylamino)propyl]-3-(3-nitrophenyl)urea

Drug info:

PubChemData

Smile

CC(C1CC1)(C(=O)O)NC(=O)N(C)CCCNC

DOS

IR

Vibrations