Geometry & MOs

Info

ID:	327630
PubChem CID:	126690561
Reduced:	IN5C14H16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	388.089138
ΔH_f, kcal/mol:	98.35
Dipole, Da:	3.51
IP(EA), eV:	-8.52(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,7aS)-4-amino-7-methyl-4,4a,6,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-7-yl]-(2,6-dichloro-3,5-dimethylanilino)methanol

Drug info:

PubChemData

Smile

C1CC1CNC2=C(N=CC(=C2)C3=CC(=NC=C3)NI)N

DOS

IR

Vibrations