Geometry & MOs

Info

ID:	418755
PubChem CID:	135106710
Reduced:	N3O4C19H29 (1)
Stoich.:	A3B4C19D29 (1)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	-140.78
Dipole, Da:	8.47
IP(EA), eV:	-9.04(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-2-[[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)CCN3CCCCCC3=O

DOS

IR

Vibrations