Geometry & MOs

Info

ID:	369023
PubChem CID:	127331129
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	311.257277
ΔH_f, kcal/mol:	-99.93
Dipole, Da:	4.53
IP(EA), eV:	-8.93(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-ethylpiperidin-2-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)O

DOS

IR

Vibrations