Geometry & MOs

Info

ID:	191071
PubChem CID:	78101692
Reduced:	ClNSO2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	359.2613
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	5.46
IP(EA), eV:	-9.29(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-N-[[4-(2,6-dimethylphenyl)phenyl]methyl]-N-methylmethanamine

Drug info:

PubChemData

Smile

COC(=O)C(=CSC#N)CC1=CC=C(C=C1)Cl

DOS

IR

Vibrations