Geometry & MOs

Info

ID:	327419
PubChem CID:	126689844
Reduced:	O5C21H42 (1)
Stoich.:	A5B21C42 (1)
Weight, g/mol:	637.294057
ΔH_f, kcal/mol:	-313.8
Dipole, Da:	4.44
IP(EA), eV:	-10.33(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS)-3-butoxy-2-methoxy-10-(tritylamino)-5,6a,7,12-tetrahydroisoquinolino[3,2-c][1,4]benzodiazepine-6,14-dione

Drug info:

PubChemData

Smile

CCCCCCCCCC(CCCCCCCC(=O)OCC(CO)O)O

DOS

IR

Vibrations