Geometry & MOs

Info

ID:	447189
PubChem CID:	135281049
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	463.269573
ΔH_f, kcal/mol:	-10.44
Dipole, Da:	5.04
IP(EA), eV:	-8.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[4-[2-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyrimidin-4-yl]-2-methylphenyl]methyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=NC=C2C)NC3=CN(N=C3)C)CN(C(=O)O)C(C)(C)C

DOS

IR

Vibrations