Geometry & MOs

Info

ID:	49326
PubChem CID:	11532855
Reduced:	N3O3C28H41 (1)
Stoich.:	A3B3C28D41 (1)
Weight, g/mol:	467.293663
ΔH_f, kcal/mol:	-128.1
Dipole, Da:	2.17
IP(EA), eV:	-8.68(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-ylmethyl)cyclohexyl]methyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea

Drug info:

PubChemData

Smile

CCNC(=O)NCC1=CC(=CC=C1)C2=C(C=C(C=C2)C(C)(C)CCCCCN3CCOCC3)O

DOS

IR

Vibrations