Geometry & MOs

Info

ID:	439534
PubChem CID:	135229310
Reduced:	O3N7C22H27 (1)
Stoich.:	A3B7C22D27 (1)
Weight, g/mol:	441.248838
ΔH_f, kcal/mol:	6.68
Dipole, Da:	1.63
IP(EA), eV:	-7.97(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1E)-N,N-dimethyl-2-[[5-oxo-3-propan-2-yl-6-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[1,2-c]pyrimidin-8-yl]amino]prop-2-enehydrazonate

Drug info:

PubChemData

Smile

CCN1C=NC2=C1C(=O)N(C=C2NC3=CN(N=C3OC)C)CC4C5C4CN(C5)C(=O)C=C

DOS

IR

Vibrations