Geometry & MOs

Info

ID:	423262
PubChem CID:	135119202
Reduced:	O5N9C38H45 (1)
Stoich.:	A5B9C38D45 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-82.62
Dipole, Da:	10.89
IP(EA), eV:	-9.39(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C5=NNN=N5

DOS

IR

Vibrations