Geometry & MOs

Info

ID:	389076
PubChem CID:	134991079
Reduced:	AlC33H63 (1)
Stoich.:	AB33C63 (1)
Weight, g/mol:	344.10347
ΔH_f, kcal/mol:	-155.61
Dipole, Da:	0.2
IP(EA), eV:	-9.23(2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methane;(6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one;nickel

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@H](C1)C[Al](C[C@H]2C[C@@H](CC[C@H]2C(C)C)C)C[C@H]3C[C@@H](CC[C@H]3C(C)C)C)C(C)C

DOS

IR

Vibrations