Geometry & MOs

Info

ID:	369053
PubChem CID:	127331179
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	320.155849
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	4.75
IP(EA), eV:	-8.44(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[(1-hydroxycycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)NC(C)CN2CCN(CC2)C3=CC=CC=N3)C

DOS

IR

Vibrations