Geometry & MOs

Info

ID:	365064
PubChem CID:	127316778
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-30.47
Dipole, Da:	4.92
IP(EA), eV:	-8.58(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyclopropyl-1-ethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CNC=C3C

DOS

IR

Vibrations