Geometry & MOs

Info

ID:	397543
PubChem CID:	135030367
Reduced:	ClNOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	305.105193
ΔH_f, kcal/mol:	-1.99
Dipole, Da:	2.77
IP(EA), eV:	-8.76(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,13-dioxa-1-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),7,10,15,17,19-heptaen-6-one

Drug info:

PubChemData

Smile

C1CN2CC3=C(C=CC(=C3)Cl)OC2C4=CC=CC=C41

DOS

IR

Vibrations