Geometry & MOs

Info

ID:	155275
PubChem CID:	56352859
Reduced:	O2N4C25H40 (1)
Stoich.:	A2B4C25D40 (1)
Weight, g/mol:	422.268176
ΔH_f, kcal/mol:	-112.77
Dipole, Da:	6.39
IP(EA), eV:	-8.81(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]piperidin-4-yl]-3-phenylurea

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)NC3CCCCC3)C(C)C

DOS

IR

Vibrations