Geometry & MOs

Info

ID:	218006
PubChem CID:	85088727
Reduced:	O3F5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-354.19
Dipole, Da:	5.01
IP(EA), eV:	-10.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(1H-indol-3-yl)-1-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-2-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OC12CCCCCCCCCCC1OC2C3=C(C(=C(C(=C3F)F)F)F)F

DOS

IR

Vibrations