Geometry & MOs

Info

ID:	331611
PubChem CID:	127249620
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	38.91
Dipole, Da:	4.6
IP(EA), eV:	-8.99(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3C=CN=C3C)C4CCN(C4)C(=O)C

DOS

IR

Vibrations