Geometry & MOs

Info

ID:	349443
PubChem CID:	127275230
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-92.57
Dipole, Da:	6.27
IP(EA), eV:	-8.91(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=C1)NC(=O)CN2CCCC2C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations