Geometry & MOs

Info

ID:	170318
PubChem CID:	75216463
Reduced:	NOC6H8 (4)
Stoich.:	ABC6D8 (4)
Weight, g/mol:	490.11167
ΔH_f, kcal/mol:	-125.04
Dipole, Da:	6.97
IP(EA), eV:	-9.28(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NC2CCCCNC2=O)C3=NC(=O)C(C(=N3)CC)CC

DOS

IR

Vibrations