Geometry & MOs

Info

ID:	354427
PubChem CID:	127286871
Reduced:	O2N3C22H35 (1)
Stoich.:	A2B3C22D35 (1)
Weight, g/mol:	387.288577
ΔH_f, kcal/mol:	-99.68
Dipole, Da:	5.7
IP(EA), eV:	-8.72(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCN1CCCC(C1)CNC(=O)NCC2(CCOCC2)C3=CC=CC=C3C

DOS

IR

Vibrations