Geometry & MOs

Info

ID:	439599
PubChem CID:	135229376
Reduced:	O3N7C22H27 (1)
Stoich.:	A3B7C22D27 (1)
Weight, g/mol:	415.188049
ΔH_f, kcal/mol:	5.22
Dipole, Da:	6.15
IP(EA), eV:	-8.42(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-1-[4-[(3-methoxy-1-methylpyrazol-4-yl)amino]-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CN=C2N1C(=O)N(C=C2NC3=CN(N=C3OC)C)CC4C5C4CN(C5)C(=O)C=C

DOS

IR

Vibrations