Geometry & MOs

Info

ID:	353059
PubChem CID:	127284209
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	373.21139
ΔH_f, kcal/mol:	-13.23
Dipole, Da:	6.55
IP(EA), eV:	-8.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2C(=O)CC3=C(N=C4C=CNN4C3=O)C

DOS

IR

Vibrations