Geometry & MOs

Info

ID:	403380
PubChem CID:	135059941
Reduced:	SeC10H19 (1)
Stoich.:	AB10C19 (1)
Weight, g/mol:	445.251798
ΔH_f, kcal/mol:	-12.14
Dipole, Da:	1.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758247
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[[4-(8-phenyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaen-7-yl)phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)[Se])C(C)C

DOS

IR

Vibrations