Geometry & MOs

Info

ID:	441923
PubChem CID:	135246722
Reduced:	ON3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	358.179361
ΔH_f, kcal/mol:	60.44
Dipole, Da:	5.18
IP(EA), eV:	-8.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[(3Z)-4-(2-methylcyclopenten-1-yl)buta-1,3-dien-2-yl]oxy-5H-1,3-diazepin-6-yl]pyrazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=C)/C(=C\N3C=CN=C3C)/C

DOS

IR

Vibrations