Geometry & MOs

Info

ID:	305988
PubChem CID:	124999639
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	439.240582
ΔH_f, kcal/mol:	-29.68
Dipole, Da:	2.07
IP(EA), eV:	-8.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5,7-dimethyl-2-[(2R)-1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)N2CCOC[C@@H](C2)CC3=NC(=CC=C3)C(=O)N

DOS

IR

Vibrations