Geometry & MOs

Info

ID:	363097
PubChem CID:	127310128
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	5.72
IP(EA), eV:	-9.26(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C(C)C)C(=O)N3CCOC(C3)CN4C=C(C=N4)C

DOS

IR

Vibrations