Geometry & MOs

Info

ID:	193506
PubChem CID:	78402174
Reduced:	N3O6C23H25 (1)
Stoich.:	A3B6C23D25 (1)
Weight, g/mol:	461.11028
ΔH_f, kcal/mol:	-180.89
Dipole, Da:	8.14
IP(EA), eV:	-8.93(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(3-bromophenyl)methoxy]phenyl]-2,9-dimethyl-1,2,3,5-tetrahydropyrazolo[1,5-c]quinazoline

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC(=C(C#N)C(=O)COC(=O)CCC(=O)C3=CC4=C(C=C3)OCCO4)N2

DOS

IR

Vibrations