Geometry & MOs

Info

ID:	29285
PubChem CID:	832804
Reduced:	ON3C18H20 (1)
Stoich.:	AB3C18D20 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	20.46
Dipole, Da:	5.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.899487
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-3-phenylurea

Drug info:

PubChemData

Smile

CC[N+]1=C(N(C2=C1C=C(C=C2)C(=O)NC)C3=CC=CC=C3)C

DOS

IR

Vibrations