Geometry & MOs

Info

ID:	81568
PubChem CID:	49854873
Reduced:	N3O5H29C31 (1)
Stoich.:	A3B5C29D31 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	6.09
IP(EA), eV:	-8.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-benzhydryl-7-(dimethylamino)-1-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-8,9-dione

Drug info:

PubChemData

Smile

COCCN1C[C@@H](N2C=C(C(=O)C(=O)C2=C1O)NC(=O)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations