Geometry & MOs

Info

ID:	333503
PubChem CID:	127252055
Reduced:	OSN6C21H28 (1)
Stoich.:	ABC6D21E28 (1)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	39.61
Dipole, Da:	7.37
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[7-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCC(CC2)CC3=C(C=NC4=CC=NN43)CN(C)C

DOS

IR

Vibrations