Geometry & MOs

Info

ID:	163166
PubChem CID:	57646968
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	378.13036
ΔH_f, kcal/mol:	30.19
Dipole, Da:	5.77
IP(EA), eV:	-9.05(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

COCC1=CN(N=N1)C2=C(C=CC3=C2C=CN=C3)OC4CCNCC4

DOS

IR

Vibrations