Geometry & MOs

Info

ID:	127979
PubChem CID:	51025509
Reduced:	ClON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	176.106196
ΔH_f, kcal/mol:	-36.67
Dipole, Da:	5.56
IP(EA), eV:	-8.78(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8S)-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4,6-diamine

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@@H]2NC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations