Geometry & MOs

Info

ID:	331610
PubChem CID:	127249619
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-28.62
Dipole, Da:	2.57
IP(EA), eV:	-8.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-methyl-3-[(2-methylimidazol-1-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3CCOCC3)C4CCN(C4)C(=O)C

DOS

IR

Vibrations