Geometry & MOs

Info

ID:	161360
PubChem CID:	57391444
Reduced:	ON7C18H19 (1)
Stoich.:	AB7C18D19 (1)
Weight, g/mol:	419.127677
ΔH_f, kcal/mol:	48.66
Dipole, Da:	2.95
IP(EA), eV:	-7.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]pyridin-2-yl]methyl]thiadiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC1=NC(=CC=C1)C2=CC3=C4C(=C(N=C3N2)NC)N=CN4C

DOS

IR

Vibrations