Geometry & MOs

Info

ID:	353007
PubChem CID:	127284128
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-158.74
Dipole, Da:	2.75
IP(EA), eV:	-8.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)NCC3CN(CCO3)CC(C)C

DOS

IR

Vibrations