Geometry & MOs

Info

ID:	357310
PubChem CID:	127293943
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	385.119319
ΔH_f, kcal/mol:	-38.91
Dipole, Da:	7.91
IP(EA), eV:	-8.74(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)oxan-4-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=CC=CC=C2NC(=O)N3CCNC(=O)C3C4=CC=CC=C4

DOS

IR

Vibrations