Geometry & MOs

Info

ID:	349248
PubChem CID:	127274974
Reduced:	OSN7C16H19 (1)
Stoich.:	ABC7D16E19 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	87.32
Dipole, Da:	6.14
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=NC2=NC(=NN12)C(=O)N3CCCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations