Geometry & MOs

Info

ID:	156529
PubChem CID:	56371017
Reduced:	O2N5C25H31 (1)
Stoich.:	A2B5C25D31 (1)
Weight, g/mol:	341.227869
ΔH_f, kcal/mol:	-42.96
Dipole, Da:	5.24
IP(EA), eV:	-8.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylamino)-4-methylpentyl]-3-[3-(difluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1C3CCCN3C(=O)NC4=CC=C(C=C4)C(=O)NCC(C)C

DOS

IR

Vibrations