Geometry & MOs

Info

ID:	141294
PubChem CID:	52854802
Reduced:	O2N3C27H31 (1)
Stoich.:	A2B3C27D31 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	-8.3
Dipole, Da:	2.71
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC(=NC=C2)OCC3=CC=CC=C3)CCCC4=CC=CC=C4

DOS

IR

Vibrations