Geometry & MOs

Info

ID:	126918
PubChem CID:	50984479
Reduced:	NOF2C18H25 (1)
Stoich.:	ABC2D18E25 (1)
Weight, g/mol:	373.16848
ΔH_f, kcal/mol:	-157.04
Dipole, Da:	2.67
IP(EA), eV:	-9.2(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCCC(C1)CCC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations