Geometry & MOs

Info

ID:	369022
PubChem CID:	127331128
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-26.21
Dipole, Da:	2.63
IP(EA), eV:	-8.65(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[(1-hydroxycycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)NCC3CCC4=CC=CC=C34

DOS

IR

Vibrations