Geometry & MOs

Info

ID:	354008
PubChem CID:	127285665
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	338.268176
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	4.6
IP(EA), eV:	-9.03(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-(1-tert-butylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(C)NC(=O)NCC3CN(CCO3)C

DOS

IR

Vibrations