Geometry & MOs

Info

ID:	329543
PubChem CID:	126737931
Reduced:	NOPC7H14 (1)
Stoich.:	ABCD7E14 (1)
Weight, g/mol:	611.199762
ΔH_f, kcal/mol:	-19.93
Dipole, Da:	3.85
IP(EA), eV:	-8.49(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-(1-phenylbenzo[f]quinazolin-3-yl)-9-oxa-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CO)NC#P

DOS

IR

Vibrations