Geometry & MOs

Info

ID:	360223
PubChem CID:	127300866
Reduced:	O2N7C19H23 (1)
Stoich.:	A2B7C19D23 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	38.48
Dipole, Da:	4.72
IP(EA), eV:	-8.95(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations