Geometry & MOs

Info

ID:	421570
PubChem CID:	135116245
Reduced:	O4N7C33H39 (1)
Stoich.:	A4B7C33D39 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-46.19
Dipole, Da:	2.12
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-[(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methyl]-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC=C(C=N2)CN3CCOC4=C(C=CC(=C4)C5=NC=CN5CCNC(=O)[C@H](NC(=O)C3)C(C)C)OC

DOS

IR

Vibrations