Geometry & MOs

Info

ID:	184535
PubChem CID:	77174088
Reduced:	N2O3C23H34 (1)
Stoich.:	A2B3C23D34 (1)
Weight, g/mol:	399.163057
ΔH_f, kcal/mol:	-89.77
Dipole, Da:	5.37
IP(EA), eV:	-8.0(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-methyl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]pyrrolidin-3-yl]-(1,1,1-trifluoropropan-2-yl)carbamic acid

Drug info:

PubChemData

Smile

CC(=O)NC1CC2C=C(CCC2(C3C1C4CC=C(C4(CC3)C)NC(=O)C)C)O

DOS

IR

Vibrations