Geometry & MOs

Info

ID:	333673
PubChem CID:	127252225
Reduced:	O2N4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	-70.16
Dipole, Da:	4.92
IP(EA), eV:	-9.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholin-4-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC(=N1)C3CCN(C3)C(=O)CC4=CC=CC=C4)CC5CCCCC5

DOS

IR

Vibrations