Geometry & MOs

Info

ID:	59833
PubChem CID:	24898976
Reduced:	BrSN7C19H22 (1)
Stoich.:	ABC7D19E22 (1)
Weight, g/mol:	305.177964
ΔH_f, kcal/mol:	103.85
Dipole, Da:	7.15
IP(EA), eV:	-8.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(2-methyl-6H-benzo[c][1]benzoxepin-11-ylidene)piperidine

Drug info:

PubChemData

Smile

CCC(CC)C1=CC(=NC2=C(C(=NN12)C)C3=C(N=C(S3)C4=NC=NN4C)Br)C

DOS

IR

Vibrations